Accuracy

Gd_(UDOMOP) r   6858 Gadolinium complex, CCDC: UDOMOP (Geo)

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    #  Species Formula
  6848 Gadolinium complex, CCDC: DUFBEL (Geo)C25H39N2O8Gd
  6849 Gadolinium complex, CCDC: LOQKEH (Geo)C24H37N6O8Gd
  6850 Gadolinium complex, CCDC: BUVVOD01 (Geo)H18O9Gd
  6851 Gadolinium complex, CCDC: ZZZARA01 (Geo)H18O9Gd
  6852 Gadolinium complex, CCDC: FUXPUJ (Geo)C6H24O9Gd
  6853 Gadolinium complex, CCDC: GINPOI (Geo)C8H26O9Gd
  6854 Gadolinium complex, CCDC: VIGBOC (Geo)C18H30N3O9Gd
  6855 Gadolinium complex, CCDC: JOPJIH01 (Geo)C16H26N4O9Gd
  6856 Gadolinium complex, CCDC: GODMER (Geo)C15H17N5O9Gd
  6857 Gadolinium complex, CCDC: UDOMIJ (Geo)C16H28N5O9Gd
  6858 Gadolinium complex, CCDC: UDOMOP (Geo) C16H28N5O9Gd
  6859 Gadolinium complex, CCDC: LASZOU (Geo)C17H28N5O9Gd
  6860 Gadolinium complex, CCDC: WALQAB (Geo)C18H30N5O9Gd
  6861 Gadolinium complex, CCDC: VETDON (Geo)C18H32N5O9Gd
  6862 Gadolinium complex, CCDC: YOVFIY01 (Geo)C28H36N5O9Gd
  6863 Gadolinium complex, CCDC: PADEGA10 (Geo)C14H14N7O9Gd
  6864 Gadolinium complex, CCDC: ZIPJIR (Geo)C17H28N5O10Gd
  6865 Gadolinium complex, CCDC: BIFZEV (Geo)C10H18N2O11Gd
  6866 Gadolinium complex, CCDC: WAVPAK (Geo)C42H56N6O11Gd
  6867 Gadolinium complex, CCDC: ZAXQAQ (Geo)C27H34N7O11Gd
  6868 Gadolinium complex, CCDC: LANITB (Geo)H6N3O12Gd


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES
Gadolinium complex, CCDC: UDOMOP
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <Gd-O7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.35010002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35481563 +1   70.8221766 +1    0.0000000 +0     1     2     0
  O     2.37629999 +1  119.7010690 +1  -70.5356381 +1     1     2     3
  O     2.37840003 +1  107.3450760 +1 -160.5020214 +1     1     2     3
  O     2.39699999 +1   73.0259996 +1  127.4031756 +1     1     2     3
  O     2.47900000 +1  151.9810419 +1   49.7178839 +1     1     2     3
  N     3.54983144 +1   66.9560845 +1 -124.8373791 +1     1     2     3
  N     3.31138894 +1   64.5680440 +1  -64.1605648 +1     1     2     3
  N     2.86026899 +1   89.2851506 +1   50.5068747 +1     6     1     2
  H     1.00666643 +1  125.0671061 +1 -104.1878359 +1     7     1     2
  H     1.00376873 +1  127.9321891 +1  120.6024953 +1     7     1     2
  O     2.24556230 +1  158.3462210 +1  -21.4158230 +1     3     1     2
  N     2.28791464 +1  159.7032931 +1  133.9224070 +1     6     1     2
  O     2.23317786 +1  170.2803813 +1   87.8117621 +1     5     1     2
  N     2.28595500 +1  169.7575631 +1   -9.5417441 +1     4     1     2
  H     1.01386577 +1  148.1162514 +1  -52.3257249 +1    14     6     1
  O     2.23634570 +1  179.9950267 +1 -144.6984970 +1     2     1     3
  H     1.01580532 +1  148.6553940 +1   21.7847068 +1    16     4     1
  C     1.46568451 +1   98.1086334 +1  126.8860785 +1    14     6     1
  H     1.10356709 +1  110.3248125 +1 -163.7333513 +1    20    14     6
  H     1.10891273 +1  110.8035847 +1   76.3358678 +1    20    14     6
  H     1.10262050 +1  113.3194615 +1  -44.4366088 +1    20    14     6
  C     1.25432139 +1  138.7065352 +1   86.7172148 +1     6     1     2
  C     1.46331952 +1   63.0561606 +1  145.3808218 +1    10     6     1
  H     1.12078565 +1  112.3136944 +1 -116.6738095 +1    25    10     6
  H     1.12072543 +1  113.6153391 +1  124.8374578 +1    25    10     6
  C     1.47309206 +1   93.9635953 +1 -100.9896470 +1    10     6     1
  H     1.11035474 +1  114.2222198 +1  -54.1733056 +1    28    10     6
  H     1.10842414 +1  114.5814536 +1 -173.7687983 +1    28    10     6
  C     1.21593612 +1   27.1831048 +1  -21.4233748 +1    18     2     1
  C     1.48313973 +1  151.2435496 +1   56.9521989 +1    10     6     1
  H     1.11640056 +1  112.5714879 +1  161.9995697 +1    32    10     6
  H     1.11610431 +1  110.9082502 +1   44.5408234 +1    32    10     6
  C     1.51265375 +1  119.3560560 +1  -37.3642296 +1     8     1     2
  H     1.11309100 +1  110.9005947 +1 -171.2191645 +1    35     8     1
  H     1.11976554 +1  108.3160579 +1   73.0625787 +1    35     8     1
  C     1.48040667 +1  100.5907541 +1 -156.9069970 +1     8     1     2
  H     1.11128532 +1  114.4877930 +1  -97.2817927 +1    38     8     1
  H     1.11643332 +1  114.5006002 +1  145.0546716 +1    38     8     1
  C     1.21711954 +1   28.1525169 +1  -36.7529348 +1    15     5     1
  C     1.51967683 +1  112.4220702 +1   85.8819925 +1     8     1     2
  H     1.12108634 +1  111.5201645 +1 -156.7264983 +1    42     8     1
  H     1.10769006 +1  111.2254492 +1   88.9365000 +1    42     8     1
  C     1.50227543 +1  118.1624857 +1  -62.1119074 +1     9     1     2
  H     1.11589146 +1  111.7118593 +1 -171.1994677 +1    45     9     1
  H     1.12557721 +1  108.5723698 +1   74.7817986 +1    45     9     1
  C     1.49070987 +1  100.2041306 +1   57.9852500 +1     9     1     2
  H     1.12680121 +1  111.9842696 +1  -92.2254092 +1    48     9     1
  H     1.10936366 +1  114.5353432 +1  150.1096138 +1    48     9     1
  C     1.21158435 +1   27.6384861 +1  -42.4915689 +1    13     3     1
  C     1.47740049 +1  107.4047274 +1  172.3695989 +1     9     1     2
  H     1.12950194 +1  113.1015557 +1  -95.7623915 +1    52     9     1
  H     1.11367430 +1  114.9571560 +1  146.6099410 +1    52     9     1
  C     1.25826377 +1  140.2449773 +1    9.4476636 +1     4     1     2
  C     1.46347992 +1   97.9967115 +1 -154.8609762 +1    16     4     1
  H     1.10585550 +1  110.3728789 +1  144.7923585 +1    56    16     4
  H     1.10414702 +1  113.5217760 +1   25.9337257 +1    56    16     4
  H     1.10632034 +1  110.6987768 +1  -95.1663565 +1    56    16     4